N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C19H28N2O3S — CID 9243419

IUPACN-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCCC1
InChIInChI=1S/C19H28N2O3S/c22-19(20-17-6-2-1-3-7-17)13-10-16-8-11-18(12-9-16)25(23,24)21-14-4-5-15-21/h8-9,11-12,17H,1-7,10,13-15H2,(H,20,22)
InChIKeyYLXVKCCAZLPHTO-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.85
Rot. Bonds6

About N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 9243419) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID9243419
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCCC1
InChIInChI=1S/C19H28N2O3S/c22-19(20-17-6-2-1-3-7-17)13-10-16-8-11-18(12-9-16)25(23,24)21-14-4-5-15-21/h8-9,11-12,17H,1-7,10,13-15H2,(H,20,22)
InChIKeyYLXVKCCAZLPHTO-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 9243419) is N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is YLXVKCCAZLPHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c22-19(20-17-6-2-1-3-7-17)13-10-16-8-11-18(12-9-16)25(23,24)21-14-4-5-15-21/h8-9,11-12,17H,1-7,10,13-15H2,(H,20,22).
What are the key properties of N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 364.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 9243419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).